Geometry & MOs

Info

ID:	218521
PubChem CID:	85089566
Reduced:	F3O8C22H27 (1)
Stoich.:	A3B8C22D27 (1)
Weight, g/mol:	476.149598
ΔH_f, kcal/mol:	-492.19
Dipole, Da:	9.56
IP(EA), eV:	-10.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC(C)(C(=O)CC(C(C)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)C(=O)O)C(=O)OC

DOS

IR

Vibrations